[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-butanoyloxy-butyl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-butanoyloxy-butyl] 2-azanyl-3-methyl-butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-butanoyloxy-butyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(1-oxobutoxy)butyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-butanoyloxybutyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-butyryloxy-butyl] ester Formula: C19H30N6O5 MolecularWeight: 422.4787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C(C)C)N

Isomeric SMILES

CCCC(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C(C)C)N

InChI

InChI=1S/C19H30N6O5/c1-4-5-13(26)29-7-6-12(9-30-18(28)14(20)11(2)3)8-25-10-22-15-16(25)23-19(21)24-17(15)27/h10-12,14H,4-9,20H2,1-3H3,(H3,21,23,24,27)